Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 42 results

Search term: WWYNJERNGUHSAO (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
12560

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
C21H28O2312.4458124212299622
10481953

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21?/m0/s1
C21H28O2312.44582225101528
56647

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m1/s1
C21H28O2312.4458182100
16736785

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21+/m0/s1
C21H28O2312.4458141498229
29341362

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16?,17-,18-,19+,20+,21+/m1/s1
C21H28O2312.4458121400
58178848

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i5D2,6D2,13D,16D
C21H22D6O2318.4828111500
58784699

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i2D,5D2,6D2,13D,16D
C21H21D7O2319.4896700
77499132

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20+,21-/m0/s1/i5D2,6D2,13D,16D
C21H22D6O2318.48284600
77499197

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17-,18+,19+,20-,21+/m0/s1
C21H28O2312.44584400
22889013

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16?,17?,18?,19?,20?,21-/m0/s1
C21H28O2312.44584200
5036574

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19+,20+,21+/m0/s1
C21H28O2312.44583300
114390314

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i5D2,6D2,12D2,13D,16D
C21H20D8O2320.49513300
30841900

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17?,18?,19?,20?,21-/m0/s1
C21H28O2312.44582200
58145955

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21+/m1/s1
C21H28O2312.44582200
8113919

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16?,17-,18-,19+,20?,21+/m1/s1
C21H28O2312.44582200
8511399

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i9T,17T/t9?,16-,17+,18+,19-,20-,21-
C21H26T2O2316.4622200
8646199

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16?,17?,18?,19?,20?,21-/m1/s1
C21H28O2312.44582100
1013341

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19+,20+,21-/m0/s1
C21H28O2312.44582100
123

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